IFLAB-ZINC05181422 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.6500 1.5440 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.0200 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.4680 -1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -1.8100 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -2.3500 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -3.7120 -1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -4.5510 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -4.0050 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.6420 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -6.0110 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -6.4640 -2.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -6.8430 -0.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -8.2960 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -8.7910 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -8.3600 1.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -6.8950 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -6.3210 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -8.9220 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -9.7200 2.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -10.1880 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -11.0630 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -11.4320 5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -10.9520 6.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -10.0980 6.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -9.7120 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -8.6460 4.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -11.3600 7.9930 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1050 -12.1160 8.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -10.9380 8.8710 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1010 1.8290 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 1.9750 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 1.9160 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.4100 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.2640 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -1.7000 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -4.1300 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -4.6500 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.2200 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -8.7910 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -8.5120 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -9.8800 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -8.3740 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -6.6090 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -6.5040 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.2340 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -6.6240 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -11.4440 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -12.1020 5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -9.7250 7.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END